#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9k s LYS 439 N 0.00 1.34 0.04 3.49 -0.14 -1.26 -3.13 119.74 120.08 3k9k s LYS 439 Ca 0.00 -1.67 -0.07 0.00 -1.36 0.00 0.00 55.97 52.88 3k9k s LYS 439 Cb 0.00 -0.73 -0.01 0.00 -1.68 0.00 0.00 37.83 35.42 3k9k s LYS 439 CO 0.00 -0.04 0.13 0.08 -0.76 0.00 0.00 175.35 174.75 3k9k s VAL 440 N -3.32 0.12 -0.21 3.17 1.01 -0.36 -4.65 120.40 116.16 3k9k s VAL 440 Ca 0.27 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 3k9k s VAL 440 Cb 0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 3k9k s VAL 440 CO 0.08 -0.57 0.38 -0.75 0.00 0.00 0.00 175.10 174.25 3k9k s LYS 441 N -2.58 4.16 -0.01 2.72 2.20 -1.26 0.42 119.74 125.38 3k9k s LYS 441 Ca -0.05 0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.71 3k9k s LYS 441 Cb -0.01 -3.54 -0.00 0.00 -1.51 0.00 0.00 37.83 32.76 3k9k s LYS 441 CO -0.04 -0.05 -0.02 1.17 -0.36 0.00 0.00 175.35 176.05 3k9k n LYS 442 N 4.52 0.03 -2.36 4.03 4.81 -0.05 -4.71 118.16 124.43 3k9k n LYS 442 Ca -0.09 0.04 -0.29 0.00 -0.87 0.00 0.00 58.31 57.11 3k9k n LYS 442 Cb 0.51 -0.58 0.01 0.00 0.02 0.00 0.00 35.03 34.99 3k9k n LYS 442 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3k9k n LEU 443 N -2.59 5.13 0.00 3.14 4.77 -1.26 -4.79 117.00 121.41 3k9k n LEU 443 Ca -0.01 -5.13 0.00 0.00 -0.03 0.00 0.00 56.01 50.85 3k9k n LEU 443 Cb 0.03 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 3k9k n LEU 443 CO 0.01 2.16 0.00 0.47 -1.33 0.00 0.00 177.39 178.70 3k9k n ASP 444 N -0.51 0.00 -4.62 -1.43 8.00 -1.26 -4.96 116.55 111.76 3k9k n ASP 444 Ca 0.42 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.57 3k9k n ASP 444 Cb 0.62 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.62 3k9k n ASP 444 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3k9k s LYS 445 N -0.03 2.89 -0.11 -1.24 -0.14 -1.26 -5.04 119.74 114.81 3k9k s LYS 445 Ca 0.00 -0.48 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 3k9k s LYS 445 Cb 0.00 -2.69 -0.03 0.00 -1.68 0.00 0.00 37.83 33.43 3k9k s LYS 445 CO 0.00 0.67 1.26 -1.58 -0.76 0.00 0.00 175.35 174.93 3k9k s TRP 446 N -0.80 2.97 -0.09 3.18 0.51 -1.26 -0.87 118.94 122.58 3k9k s TRP 446 Ca 0.12 1.06 -0.09 0.00 -2.12 0.00 0.00 56.10 55.07 3k9k s TRP 446 Cb -0.11 -3.49 0.02 0.00 -0.81 0.00 0.00 33.47 29.08 3k9k s TRP 446 CO 0.02 -1.65 0.26 0.54 -0.51 0.00 0.00 176.95 175.61 3k9k s VAL 447 N 2.91 0.01 0.00 4.03 0.11 0.17 -4.94 120.40 122.68 3k9k s VAL 447 Ca 0.56 -0.07 -0.27 0.00 -2.93 0.00 0.00 61.98 59.28 3k9k s VAL 447 Cb -0.24 -0.39 -0.13 0.00 -1.53 0.00 0.00 36.38 34.09 3k9k s VAL 447 CO 0.19 -0.04 0.71 -2.65 -3.33 0.00 0.00 175.10 169.98 3k9k n PRO 448 N 2.76 0.00 0.00 1.54 -0.02 -1.26 -1.23 135.00 136.79 3k9k n PRO 448 Ca -0.14 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.38 3k9k n PRO 448 Cb 0.58 -1.00 0.19 0.00 -0.02 0.00 0.00 33.50 33.26 3k9k n PRO 448 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3k9k n HIS 449 N 0.99 0.00 -3.15 6.00 -0.00 -1.18 -4.27 115.22 113.60 3k9k n HIS 449 Ca 0.13 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.37 3k9k n HIS 449 Cb 0.05 -0.42 -0.00 0.00 -0.12 0.00 0.00 29.99 29.50 3k9k n HIS 449 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 3k9k s GLU 450 N -2.85 0.18 0.57 1.57 2.12 -1.26 -5.00 118.70 114.04 3k9k s GLU 450 Ca 0.06 0.21 -0.19 0.00 0.36 0.00 0.00 54.97 55.41 3k9k s GLU 450 Cb 0.06 0.10 -0.07 0.00 0.26 0.00 0.00 34.13 34.48 3k9k s GLU 450 CO 0.15 -0.32 0.77 1.28 -0.54 0.00 0.00 175.26 176.60 3k9k n LEU 451 N 5.21 2.30 -4.89 2.70 4.77 -1.26 -4.98 117.00 120.86 3k9k n LEU 451 Ca 0.06 0.79 -0.30 0.00 -0.03 0.00 0.00 56.01 56.53 3k9k n LEU 451 Cb 0.57 -1.29 0.05 0.00 -2.33 0.00 0.00 43.42 40.42 3k9k n LEU 451 CO -0.14 -2.37 0.75 0.42 -1.33 0.00 0.00 177.39 174.72 3k9k s THR 452 N -1.58 3.40 0.42 -5.08 -4.23 -1.26 -4.90 115.64 102.40 3k9k s THR 452 Ca 0.72 0.45 0.10 0.00 -1.18 0.00 0.00 61.69 61.77 3k9k s THR 452 Cb -0.44 -3.45 0.22 0.00 1.34 0.00 0.00 72.50 70.17 3k9k s THR 452 CO 0.51 -0.59 2.01 -0.08 -0.54 0.00 0.00 174.62 175.93 3k9k h GLU 453 N -0.67 0.30 0.00 3.99 4.57 -2.00 -0.85 114.58 119.92 3k9k h GLU 453 Ca -0.45 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 3k9k h GLU 453 Cb 1.26 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3k9k h GLU 453 CO 0.64 0.30 -0.04 -0.97 -1.18 0.00 0.00 179.01 177.75 3k9k h ASN 454 N 0.30 0.00 0.53 1.04 -1.24 -2.00 -2.54 115.58 111.68 3k9k h ASN 454 Ca 0.07 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.79 3k9k h ASN 454 Cb 0.14 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 3k9k h ASN 454 CO -0.00 0.04 -1.53 1.56 -1.29 0.00 0.00 177.43 176.21 3k9k h GLN 455 N 0.00 0.13 0.00 6.67 4.20 -1.55 -3.11 115.11 121.45 3k9k h GLN 455 Ca -0.00 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.41 3k9k h GLN 455 Cb 0.91 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 3k9k h GLN 455 CO 0.01 0.90 -0.40 0.87 -0.67 0.00 0.00 178.83 179.54 3k9k h LYS 456 N 0.03 0.00 -0.28 1.46 1.57 -1.27 -2.78 116.57 115.30 3k9k h LYS 456 Ca -0.23 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.39 3k9k h LYS 456 Cb 1.97 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.28 3k9k h LYS 456 CO 0.12 0.40 -0.44 -0.91 -0.57 0.00 0.00 179.45 178.06 3k9k h ASN 457 N 0.00 0.86 -0.04 0.86 -0.26 -1.50 -0.95 115.58 114.55 3k9k h ASN 457 Ca -0.00 -0.52 -0.09 0.00 -0.56 0.00 0.00 56.30 55.13 3k9k h ASN 457 Cb 0.89 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.89 3k9k h ASN 457 CO 0.05 1.21 -0.22 0.03 -1.06 0.00 0.00 177.43 177.45 3k9k h ARG 458 N 0.54 0.44 -0.08 0.81 2.47 -1.49 0.12 114.38 117.18 3k9k h ARG 458 Ca 0.02 -0.15 -0.04 0.00 -1.26 0.00 0.00 59.98 58.55 3k9k h ARG 458 Cb 1.04 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.32 3k9k h ARG 458 CO 0.10 0.64 -0.12 0.00 0.56 0.00 0.00 179.97 181.15 3k9k h ARG 459 N 0.40 0.23 -0.37 0.04 3.08 -1.40 -2.08 114.38 114.28 3k9k h ARG 459 Ca 0.06 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3k9k h ARG 459 Cb 0.61 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3k9k h ARG 459 CO 0.04 0.70 0.23 0.35 -1.07 0.00 0.00 179.97 180.22 3k9k h PHE 460 N -0.23 0.49 -0.37 3.04 3.57 -0.99 -0.08 116.94 122.37 3k9k h PHE 460 Ca 0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3k9k h PHE 460 Cb 0.68 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3k9k h PHE 460 CO 0.10 0.34 0.18 1.49 -2.23 0.00 0.00 178.31 178.19 3k9k h GLU 461 N 0.48 0.53 -0.19 1.11 4.81 -0.79 0.17 114.58 120.70 3k9k h GLU 461 Ca 0.13 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3k9k h GLU 461 Cb -0.00 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 3k9k h GLU 461 CO -0.03 0.48 -0.31 0.28 -0.73 0.00 0.00 179.01 178.70 3k9k h VAL 462 N 0.46 1.34 0.12 0.32 2.07 -1.31 -2.09 116.25 117.14 3k9k h VAL 462 Ca 0.13 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3k9k h VAL 462 Cb 0.12 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3k9k h VAL 462 CO -0.02 0.47 -0.06 0.28 0.02 0.00 0.00 177.57 178.27 3k9k h SER 463 N 0.22 -0.14 -0.37 0.57 0.02 -0.87 -0.02 113.55 112.97 3k9k h SER 463 Ca 0.02 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 3k9k h SER 463 Cb 0.90 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 63.39 3k9k h SER 463 CO 0.07 -0.10 -0.19 -1.28 -1.14 0.00 0.00 176.83 174.20 3k9k h SER 464 N -0.16 -0.63 0.04 3.07 0.87 -0.69 -1.76 113.55 114.29 3k9k h SER 464 Ca -0.02 0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 3k9k h SER 464 Cb 0.13 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3k9k h SER 464 CO 0.03 -0.22 -0.19 0.28 -0.53 0.00 0.00 176.83 176.20 3k9k h SER 465 N -0.12 0.27 -0.05 6.23 0.02 -0.93 -2.10 113.55 116.87 3k9k h SER 465 Ca 0.18 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3k9k h SER 465 Cb 0.41 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3k9k h SER 465 CO -0.44 0.48 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.62 3k9k h LEU 466 N 0.26 0.11 -0.55 5.07 3.38 -0.48 0.12 115.31 123.21 3k9k h LEU 466 Ca 0.05 -0.46 0.11 0.00 0.09 0.00 0.00 57.88 57.66 3k9k h LEU 466 Cb 0.49 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 3k9k h LEU 466 CO 0.03 0.55 -0.05 0.40 0.09 0.00 0.00 178.44 179.46 3k9k h ILE 467 N -0.33 0.51 -0.16 1.22 2.04 -1.17 0.35 117.51 119.97 3k9k h ILE 467 Ca 0.01 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3k9k h ILE 467 Cb 0.52 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3k9k h ILE 467 CO 0.01 0.01 0.02 -0.07 0.00 0.00 0.00 178.15 178.13 3k9k h LEU 468 N 0.07 0.25 -0.72 1.44 3.38 -1.33 -2.21 115.31 116.19 3k9k h LEU 468 Ca 0.28 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3k9k h LEU 468 Cb 0.43 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 3k9k h LEU 468 CO -0.51 0.45 0.37 -0.09 0.09 0.00 0.00 178.44 178.75 3k9k h ARG 469 N 0.04 0.61 -0.01 1.13 2.43 0.13 -2.42 114.38 116.30 3k9k h ARG 469 Ca 0.05 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.00 3k9k h ARG 469 Cb 0.30 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3k9k h ARG 469 CO 0.00 0.41 -0.80 -0.97 -1.51 0.00 0.00 179.97 177.10 3k9k h ASN 470 N 0.63 0.15 -0.29 -3.80 -0.73 -0.91 0.54 115.58 111.17 3k9k h ASN 470 Ca 0.35 -0.12 -0.07 0.00 1.87 0.00 0.00 56.30 58.33 3k9k h ASN 470 Cb 0.35 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 3k9k h ASN 470 CO -0.26 0.89 -0.06 -0.74 -0.37 0.00 0.00 177.43 176.89 3k9k h HIS 471 N 0.07 0.73 0.05 0.67 2.76 -0.94 -1.84 115.15 116.65 3k9k h HIS 471 Ca -0.02 -0.11 -0.31 0.00 -2.20 0.00 0.00 60.37 57.73 3k9k h HIS 471 Cb 1.40 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 30.13 3k9k h HIS 471 CO 0.02 0.72 -1.69 -1.71 -1.30 0.00 0.00 177.93 173.97 3k9k n ASN 472 N -4.20 1.98 -3.60 3.26 5.15 -0.96 -4.67 115.26 112.21 3k9k n ASN 472 Ca 0.02 0.31 -0.27 0.00 -0.60 0.00 0.00 54.58 54.03 3k9k n ASN 472 Cb 0.32 -0.90 -0.11 0.00 -0.53 0.00 0.00 39.78 38.56 3k9k n ASN 472 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3k9k n GLU 473 N -3.99 1.01 -1.56 1.20 1.02 0.19 -5.11 120.64 113.39 3k9k n GLU 473 Ca -0.34 -3.80 -0.58 0.00 -0.02 0.00 0.00 57.16 52.42 3k9k n GLU 473 Cb 0.86 -1.94 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 3k9k n GLU 473 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3k9k n PRO 474 N 2.32 0.42 0.00 3.49 -0.02 -0.69 -4.41 135.00 136.10 3k9k n PRO 474 Ca 0.25 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3k9k n PRO 474 Cb 0.42 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3k9k n PRO 474 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3k9k n PHE 475 N 2.26 0.00 -0.30 6.00 -1.74 -1.26 -4.87 117.46 117.55 3k9k n PHE 475 Ca 0.21 0.00 0.25 0.00 -0.56 0.00 0.00 57.45 57.34 3k9k n PHE 475 Cb 0.10 0.00 0.56 0.00 1.52 0.00 0.00 39.48 41.67 3k9k n PHE 475 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 3k9k h LEU 476 N 0.00 0.33 -0.57 5.98 3.38 -1.94 -0.05 115.31 122.44 3k9k h LEU 476 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3k9k h LEU 476 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3k9k h LEU 476 CO 0.00 0.08 0.00 -0.90 0.09 0.00 0.00 178.44 177.71 3k9k n ASP 477 N -4.51 0.85 -0.21 -0.43 5.75 -1.26 -2.49 116.55 114.25 3k9k n ASP 477 Ca 0.24 -1.70 0.04 0.00 -0.01 0.00 0.00 54.79 53.36 3k9k n ASP 477 Cb 0.92 -0.07 0.01 0.00 -1.03 0.00 0.00 41.12 40.94 3k9k n ASP 477 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3k9k n ARG 478 N -0.17 1.74 -2.60 0.11 1.74 -0.03 -4.90 116.66 112.56 3k9k n ARG 478 Ca 0.12 -0.63 -0.43 0.00 -0.77 0.00 0.00 57.85 56.14 3k9k n ARG 478 Cb 0.18 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 3k9k n ARG 478 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3k9k s ILE 479 N -1.04 4.59 -0.16 0.55 1.01 -1.04 -0.83 121.20 124.28 3k9k s ILE 479 Ca 0.07 1.89 -0.06 0.00 0.00 0.00 0.00 60.65 62.55 3k9k s ILE 479 Cb 0.06 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 3k9k s ILE 479 CO 0.17 -0.07 0.03 -0.69 0.00 0.00 0.00 174.94 174.39 3k9k s VAL 480 N 2.60 4.56 0.10 2.92 1.01 0.12 -4.24 120.40 127.47 3k9k s VAL 480 Ca 0.49 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3k9k s VAL 480 Cb -0.19 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3k9k s VAL 480 CO 0.15 0.49 -0.07 0.28 0.00 0.00 0.00 175.10 175.95 3k9k s THR 481 N 0.18 0.70 -0.02 3.92 -1.32 -0.45 -0.47 115.64 118.18 3k9k s THR 481 Ca 0.03 -1.94 -0.29 0.00 -1.21 0.00 0.00 61.69 58.28 3k9k s THR 481 Cb -0.13 -1.69 0.09 0.00 -1.51 0.00 0.00 72.50 69.26 3k9k s THR 481 CO 0.01 -0.87 0.77 0.00 -2.21 0.00 0.00 174.62 172.32 3k9k s ASP 483 N -1.74 -0.05 0.13 0.00 -1.08 -1.21 -4.55 116.67 108.18 3k9k s ASP 483 Ca -0.04 -0.99 0.11 0.00 -0.52 0.00 0.00 52.55 51.11 3k9k s ASP 483 Cb -0.00 0.81 -0.04 0.00 -1.46 0.00 0.00 42.92 42.22 3k9k s ASP 483 CO -0.00 -1.57 -0.26 -1.61 0.52 0.00 0.00 175.17 172.25 3k9k s GLU 484 N -2.85 1.43 -0.01 4.34 8.01 -1.26 -2.69 118.70 125.67 3k9k s GLU 484 Ca 0.15 -1.36 0.00 0.00 0.01 0.00 0.00 54.97 53.77 3k9k s GLU 484 Cb -0.05 -1.91 0.01 0.00 -4.31 0.00 0.00 34.13 27.87 3k9k s GLU 484 CO 0.10 0.45 -0.00 0.21 0.01 0.00 0.00 175.26 176.03 3k9k s LYS 485 N -2.11 0.11 -0.11 1.61 2.20 -0.64 -4.98 119.74 115.82 3k9k s LYS 485 Ca 0.15 0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.48 3k9k s LYS 485 Cb -0.10 -0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.00 3k9k s LYS 485 CO 0.06 -0.04 1.28 -1.58 -0.36 0.00 0.00 175.35 174.71 3k9k s TRP 486 N 0.37 2.92 -0.27 4.03 0.23 -1.26 -1.52 118.94 123.43 3k9k s TRP 486 Ca -0.03 1.02 -0.14 0.00 -2.03 0.00 0.00 56.10 54.92 3k9k s TRP 486 Cb -0.05 -3.51 -0.04 0.00 0.03 0.00 0.00 33.47 29.89 3k9k s TRP 486 CO -0.01 -1.76 0.31 0.42 0.96 0.00 0.00 176.95 176.88 3k9k s ILE 487 N 2.98 5.22 0.04 2.03 -1.09 0.38 -4.93 121.20 125.84 3k9k s ILE 487 Ca 0.57 0.45 -0.23 0.00 -2.23 0.00 0.00 60.65 59.21 3k9k s ILE 487 Cb -0.24 -3.64 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 3k9k s ILE 487 CO 0.19 0.20 0.69 -0.76 -1.23 0.00 0.00 174.94 174.03 3k9k s LEU 488 N 1.88 4.46 0.60 2.97 1.43 -1.26 -0.27 118.68 128.49 3k9k s LEU 488 Ca 0.13 1.35 0.36 0.00 -1.03 0.00 0.00 54.13 54.94 3k9k s LEU 488 Cb -0.16 -3.10 1.93 0.00 0.03 0.00 0.00 46.19 44.90 3k9k s LEU 488 CO 0.10 0.09 2.23 1.88 0.23 0.00 0.00 176.35 180.88 3k9k h TYR 489 N 5.41 0.00 -3.43 0.29 0.05 -1.61 -3.40 116.97 114.29 3k9k h TYR 489 Ca -0.45 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.76 3k9k h TYR 489 Cb 1.20 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 38.55 3k9k h TYR 489 CO 0.65 0.03 -0.77 0.34 -1.05 0.00 0.00 178.16 177.36 3k9k s ASP 490 N -5.68 3.57 -0.47 3.88 3.68 -1.26 0.20 116.67 120.58 3k9k s ASP 490 Ca -0.04 -1.15 0.03 0.00 2.13 0.00 0.00 52.55 53.52 3k9k s ASP 490 Cb 0.13 -0.93 0.50 0.00 -1.45 0.00 0.00 42.92 41.17 3k9k s ASP 490 CO 0.50 -0.30 1.70 0.59 0.13 0.00 0.00 175.17 177.79 3k9k n ASN 491 N 4.82 5.41 0.00 -0.34 4.13 0.38 -4.99 115.26 124.68 3k9k n ASN 491 Ca -0.09 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.42 3k9k n ASN 491 Cb 0.45 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 37.95 3k9k n ASN 491 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3k9k n ARG 492 N -0.94 0.00 0.00 3.52 1.74 -1.26 -1.02 116.66 118.69 3k9k n ARG 492 Ca 0.52 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 3k9k n ARG 492 Cb 0.96 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.40 3k9k n ARG 492 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3k9k n HIS 514 N 0.00 0.00 -1.11 -1.55 -0.00 -1.26 -4.70 115.22 106.60 3k9k n HIS 514 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.48 3k9k n HIS 514 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 29.99 30.19 3k9k n HIS 514 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3k9k n PRO 515 N 10.48 -2.40 -4.16 1.57 -0.05 -1.26 -5.01 135.00 134.16 3k9k n PRO 515 Ca 0.00 -1.47 -0.31 0.00 -0.05 0.00 0.00 63.50 61.67 3k9k n PRO 515 Cb 0.00 -1.28 -0.08 0.00 -0.05 0.00 0.00 33.50 32.09 3k9k n PRO 515 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 175.50 175.60 3k9k s LYS 516 N -5.08 2.74 -0.06 0.54 -0.14 -1.26 -5.07 119.74 111.42 3k9k s LYS 516 Ca 0.58 -0.70 -0.30 0.00 -1.36 0.00 0.00 55.97 54.19 3k9k s LYS 516 Cb -0.05 -2.65 0.11 0.00 -1.68 0.00 0.00 37.83 33.56 3k9k s LYS 516 CO 0.44 0.58 0.97 -1.59 -0.76 0.00 0.00 175.35 174.99 3k9k s LYS 517 N -2.02 0.69 -0.03 1.68 -2.85 -1.26 -1.58 119.74 114.36 3k9k s LYS 517 Ca 0.24 -0.23 0.02 0.00 -1.00 0.00 0.00 55.97 55.00 3k9k s LYS 517 Cb -0.12 0.32 0.01 0.00 -2.06 0.00 0.00 37.83 35.98 3k9k s LYS 517 CO 0.16 -0.30 -0.09 0.54 0.10 0.00 0.00 175.35 175.76 3k9k s VAL 518 N -2.84 0.81 -0.18 1.79 0.11 0.62 -4.78 120.40 115.93 3k9k s VAL 518 Ca 0.06 -0.36 -0.23 0.00 -2.93 0.00 0.00 61.98 58.52 3k9k s VAL 518 Cb -0.01 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 3k9k s VAL 518 CO -0.07 0.26 0.72 -0.32 -3.33 0.00 0.00 175.10 172.36 3k9k s MET 519 N 0.29 4.25 0.07 1.54 1.75 -1.25 -0.47 119.30 125.49 3k9k s MET 519 Ca -0.05 0.81 0.04 0.00 -1.25 0.00 0.00 55.69 55.23 3k9k s MET 519 Cb -0.10 -3.57 -0.04 0.00 2.84 0.00 0.00 34.83 33.96 3k9k s MET 519 CO 0.01 -0.28 0.02 0.54 -0.65 0.00 0.00 175.02 174.66 3k9k s VAL 520 N 2.01 4.18 -0.07 10.11 0.11 -0.58 -0.22 120.40 135.95 3k9k s VAL 520 Ca 0.33 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 3k9k s VAL 520 Cb -0.16 -2.98 0.01 0.00 -1.53 0.00 0.00 36.38 31.71 3k9k s VAL 520 CO 0.11 0.16 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.98 3k9k s THR 521 N -1.30 1.46 -0.02 5.04 2.01 -0.58 -1.63 115.64 120.62 3k9k s THR 521 Ca 0.26 -0.68 0.07 0.00 0.31 0.00 0.00 61.69 61.65 3k9k s THR 521 Cb -0.12 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 3k9k s THR 521 CO 0.18 0.43 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.79 3k9k s ILE 522 N 0.45 1.92 -0.14 1.82 2.07 -1.09 -1.40 121.20 124.82 3k9k s ILE 522 Ca -0.14 -1.04 0.02 0.00 -1.41 0.00 0.00 60.65 58.09 3k9k s ILE 522 Cb -0.16 -1.59 0.01 0.00 0.13 0.00 0.00 42.46 40.85 3k9k s ILE 522 CO 0.05 0.54 -0.21 0.26 -1.91 0.00 0.00 174.94 173.67 3k9k s TRP 523 N -0.55 2.61 0.19 3.50 0.52 0.21 -3.32 118.94 122.10 3k9k s TRP 523 Ca 0.09 -1.32 -0.14 0.00 0.02 0.00 0.00 56.10 54.74 3k9k s TRP 523 Cb -0.10 -1.78 0.01 0.00 -1.15 0.00 0.00 33.47 30.45 3k9k s TRP 523 CO -0.01 -0.61 0.43 1.67 0.02 0.00 0.00 176.95 178.45 3k9k s TRP 524 N 0.85 0.13 0.32 -1.98 1.48 -0.78 -1.00 118.94 117.95 3k9k s TRP 524 Ca -0.06 -0.48 0.03 0.00 -1.06 0.00 0.00 56.10 54.52 3k9k s TRP 524 Cb -0.15 0.20 -0.02 0.00 -1.16 0.00 0.00 33.47 32.34 3k9k s TRP 524 CO -0.02 -0.85 0.34 -1.54 -4.06 0.00 0.00 176.95 170.81 3k9k s SER 525 N -2.92 1.25 0.60 -2.66 1.04 -0.83 -1.34 113.70 108.85 3k9k s SER 525 Ca 0.13 -1.62 0.36 0.00 0.48 0.00 0.00 55.95 55.30 3k9k s SER 525 Cb 0.01 0.58 1.95 0.00 0.10 0.00 0.00 66.02 68.66 3k9k s SER 525 CO -0.00 -1.13 2.24 0.00 0.98 0.00 0.00 173.24 175.32 3k9k h ALA 526 N 2.17 1.22 0.00 5.32 0.00 -1.79 -0.51 119.26 125.67 3k9k h ALA 526 Ca -0.27 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3k9k h ALA 526 Cb 1.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3k9k h ALA 526 CO 0.39 0.03 -0.45 0.00 0.00 0.00 0.00 179.25 179.22 3k9k h ALA 527 N 1.97 1.09 0.00 0.00 0.00 -1.89 -2.17 119.26 118.26 3k9k h ALA 527 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3k9k h ALA 527 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3k9k h ALA 527 CO 0.00 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.23 3k9k n GLY 528 N 0.04 0.98 3.75 0.00 0.00 -0.20 -4.81 105.19 104.95 3k9k n GLY 528 Ca -0.01 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 3k9k n GLY 528 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k9k s LEU 529 N 0.00 3.66 0.00 0.99 2.96 -1.26 -1.96 118.68 123.07 3k9k s LEU 529 Ca 0.00 2.37 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 3k9k s LEU 529 Cb 0.00 -4.60 0.00 0.00 0.50 0.00 0.00 46.19 42.09 3k9k s LEU 529 CO 0.00 -1.58 0.00 -0.38 -1.32 0.00 0.00 176.35 173.07 3k9k n ILE 530 N -1.60 0.00 -3.65 6.68 5.41 -0.18 -4.89 119.36 121.14 3k9k n ILE 530 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.86 3k9k n ILE 530 Cb 0.50 -0.38 -0.07 0.00 -0.71 0.00 0.00 39.64 38.98 3k9k n ILE 530 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3k9k s HIS 531 N -1.75 -0.20 0.09 1.39 5.04 -0.93 -4.75 115.29 114.18 3k9k s HIS 531 Ca 0.00 0.45 0.03 0.00 -1.54 0.00 0.00 55.06 54.01 3k9k s HIS 531 Cb 0.00 0.32 -0.04 0.00 0.04 0.00 0.00 32.58 32.90 3k9k s HIS 531 CO 0.00 -0.10 -0.10 1.52 -2.34 0.00 0.00 174.74 173.72 3k9k s TYR 532 N 0.55 1.03 0.07 3.88 1.13 -1.26 0.67 117.35 123.42 3k9k s TYR 532 Ca -0.00 -0.66 -0.06 0.00 -1.41 0.00 0.00 57.07 54.93 3k9k s TYR 532 Cb -0.04 -0.57 -0.01 0.00 -1.10 0.00 0.00 41.96 40.24 3k9k s TYR 532 CO -0.12 -0.01 0.12 -1.54 -2.51 0.00 0.00 175.55 171.49 3k9k s SER 533 N -2.44 0.23 0.11 -0.18 1.04 -0.50 -4.99 113.70 106.97 3k9k s SER 533 Ca 0.05 -0.74 0.07 0.00 0.48 0.00 0.00 55.95 55.81 3k9k s SER 533 Cb -0.03 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 3k9k s SER 533 CO -0.00 -0.68 -0.10 -0.36 0.98 0.00 0.00 173.24 173.08 3k9k s PHE 534 N -3.79 2.73 -0.24 5.02 0.40 -1.26 -1.52 117.98 119.31 3k9k s PHE 534 Ca 0.05 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.14 3k9k s PHE 534 Cb 0.05 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 3k9k s PHE 534 CO -0.10 0.43 0.09 -1.17 0.70 0.00 0.00 175.22 175.17 3k9k s LEU 535 N -2.23 3.63 0.31 -0.37 2.96 0.70 -5.00 118.68 118.67 3k9k s LEU 535 Ca 0.21 -0.11 -0.29 0.00 -0.22 0.00 0.00 54.13 53.72 3k9k s LEU 535 Cb -0.11 -1.97 -0.10 0.00 0.50 0.00 0.00 46.19 44.51 3k9k s LEU 535 CO 0.14 0.01 1.42 0.20 -1.32 0.00 0.00 176.35 176.80 3k9k s ASN 536 N 1.38 6.60 -0.27 3.68 0.01 -1.26 -3.79 114.94 121.28 3k9k s ASN 536 Ca 0.06 2.78 -0.40 0.00 -0.71 0.00 0.00 52.86 54.59 3k9k s ASN 536 Cb -0.15 -2.64 -0.15 0.00 0.41 0.00 0.00 41.25 38.72 3k9k s ASN 536 CO 0.05 -0.71 1.75 -2.65 -1.51 0.00 0.00 177.10 174.03 3k9k n PRO 537 N 1.46 1.20 -1.72 -0.60 -0.02 -1.26 -2.52 135.00 131.54 3k9k n PRO 537 Ca 0.04 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3k9k n PRO 537 Cb 0.40 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3k9k n PRO 537 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k9k n GLY 538 N 4.22 0.75 2.55 -1.23 0.00 -1.26 -5.02 105.19 105.20 3k9k n GLY 538 Ca 0.26 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 3k9k n GLY 538 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k9k n GLU 539 N -0.53 1.09 -1.57 1.61 2.13 -1.05 -5.11 120.64 117.21 3k9k n GLU 539 Ca 0.00 -2.92 -0.56 0.00 0.66 0.00 0.00 57.16 54.35 3k9k n GLU 539 Cb 0.38 -1.14 -0.07 0.00 0.27 0.00 0.00 31.44 30.87 3k9k n GLU 539 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3k9k n THR 540 N -0.02 0.02 -2.57 6.31 -1.04 -1.26 -4.86 114.28 110.86 3k9k n THR 540 Ca 0.11 -0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.77 3k9k n THR 540 Cb 0.77 -0.52 -0.04 0.00 -1.82 0.00 0.00 70.33 68.72 3k9k n THR 540 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3k9k s ILE 541 N 0.58 3.83 0.21 12.58 2.07 -1.26 -5.07 121.20 134.14 3k9k s ILE 541 Ca 0.89 1.17 0.07 0.00 -1.41 0.00 0.00 60.65 61.37 3k9k s ILE 541 Cb -1.10 -3.48 -0.05 0.00 0.13 0.00 0.00 42.46 37.96 3k9k s ILE 541 CO 0.53 -0.22 -0.13 0.42 -1.91 0.00 0.00 174.94 173.62 3k9k s THR 542 N -1.97 1.69 0.33 4.00 -4.23 -1.26 -4.68 115.64 109.53 3k9k s THR 542 Ca 0.66 -2.20 0.08 0.00 -1.18 0.00 0.00 61.69 59.06 3k9k s THR 542 Cb -0.16 -2.06 0.32 0.00 1.34 0.00 0.00 72.50 71.93 3k9k s THR 542 CO 0.20 -0.58 1.78 -1.28 -0.54 0.00 0.00 174.62 174.20 3k9k h SER 543 N 2.55 0.71 0.93 3.99 0.87 -1.84 -1.30 113.55 119.47 3k9k h SER 543 Ca -0.38 0.09 -0.16 0.00 -1.23 0.00 0.00 61.79 60.11 3k9k h SER 543 Cb 1.22 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 3k9k h SER 543 CO 0.62 0.24 -0.76 -0.33 -0.53 0.00 0.00 176.83 176.08 3k9k h GLU 544 N 0.69 0.00 0.17 2.24 3.07 -1.95 -0.31 114.58 118.48 3k9k h GLU 544 Ca 0.57 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 59.13 3k9k h GLU 544 Cb 0.99 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.92 3k9k h GLU 544 CO -0.35 0.76 -1.37 1.57 -1.40 0.00 0.00 179.01 178.22 3k9k h LYS 545 N 0.00 0.37 -0.43 2.33 2.10 -1.79 -2.59 116.57 116.55 3k9k h LYS 545 Ca -0.01 -0.63 0.06 0.00 -2.00 0.00 0.00 60.65 58.08 3k9k h LYS 545 Cb 1.43 0.23 -0.06 0.00 -0.90 0.00 0.00 32.23 32.94 3k9k h LYS 545 CO 0.10 1.29 0.11 -0.92 -2.00 0.00 0.00 179.45 178.03 3k9k h TYR 546 N 0.10 0.19 -0.72 0.07 3.20 -1.17 0.64 116.97 119.27 3k9k h TYR 546 Ca -0.19 0.02 0.15 0.00 3.14 0.00 0.00 58.73 61.85 3k9k h TYR 546 Cb 2.05 -0.02 -0.13 0.00 1.54 0.00 0.00 36.73 40.17 3k9k h TYR 546 CO 0.09 0.04 -0.11 0.00 -1.64 0.00 0.00 178.16 176.54 3k9k h ALA 547 N 1.32 0.58 0.37 1.82 0.00 -1.05 0.47 119.26 122.77 3k9k h ALA 547 Ca 0.21 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 3k9k h ALA 547 Cb 0.24 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3k9k h ALA 547 CO -0.25 -0.42 -0.24 1.96 0.00 0.00 0.00 179.25 180.29 3k9k h GLN 548 N 0.04 -0.57 -0.62 0.00 4.20 -0.51 -1.79 115.11 115.86 3k9k h GLN 548 Ca 0.37 0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.22 3k9k h GLN 548 Cb 0.59 0.13 -0.12 0.00 0.30 0.00 0.00 27.48 28.39 3k9k h GLN 548 CO -0.70 -0.38 -0.36 0.93 -0.67 0.00 0.00 178.83 177.65 3k9k h GLU 549 N -0.59 -0.16 -0.63 1.46 4.39 0.16 0.19 114.58 119.41 3k9k h GLU 549 Ca -0.04 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.81 3k9k h GLU 549 Cb 0.50 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 29.07 3k9k h GLU 549 CO 0.03 -0.10 -0.01 0.82 -1.16 0.00 0.00 179.01 178.58 3k9k h ILE 550 N -0.16 0.47 -0.22 3.13 2.04 0.04 0.11 117.51 122.92 3k9k h ILE 550 Ca 0.23 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.98 3k9k h ILE 550 Cb 0.56 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3k9k h ILE 550 CO -0.70 0.02 -0.18 -0.78 0.00 0.00 0.00 178.15 176.50 3k9k h ASP 551 N 0.11 0.37 0.56 1.72 1.82 0.27 0.57 116.42 121.83 3k9k h ASP 551 Ca 0.33 -0.10 -0.28 0.00 -0.39 0.00 0.00 57.03 56.58 3k9k h ASP 551 Cb 0.53 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.40 3k9k h ASP 551 CO -0.55 0.58 -1.58 1.05 -1.61 0.00 0.00 179.24 177.13 3k9k h GLU 552 N 0.35 0.03 -0.57 0.28 4.11 -1.18 -2.84 114.58 114.76 3k9k h GLU 552 Ca 0.06 -0.06 0.12 0.00 0.07 0.00 0.00 59.36 59.55 3k9k h GLU 552 Cb 0.53 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.70 3k9k h GLU 552 CO 0.03 0.67 -0.01 1.98 0.07 0.00 0.00 179.01 181.76 3k9k h MET 553 N 0.01 0.10 -0.31 1.06 4.05 -0.62 -1.01 114.93 118.21 3k9k h MET 553 Ca -0.24 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.13 3k9k h MET 553 Cb 1.97 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.73 3k9k h MET 553 CO 0.09 0.07 0.01 -0.97 0.23 0.00 0.00 176.91 176.34 3k9k h ASN 554 N 0.11 0.44 -0.34 1.39 -1.24 -0.90 -1.68 115.58 113.35 3k9k h ASN 554 Ca 0.29 -0.07 -0.06 0.00 0.71 0.00 0.00 56.30 57.17 3k9k h ASN 554 Cb 0.46 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 3k9k h ASN 554 CO -0.49 0.50 -0.02 -0.61 -1.29 0.00 0.00 177.43 175.51 3k9k h GLN 555 N 0.46 0.63 -0.45 6.67 5.75 -1.01 -1.23 115.11 125.91 3k9k h GLN 555 Ca 0.10 -0.21 -0.06 0.00 -0.15 0.00 0.00 58.65 58.33 3k9k h GLN 555 Cb 0.29 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 3k9k h GLN 555 CO 0.01 0.76 0.03 0.87 -2.65 0.00 0.00 178.83 177.85 3k9k h LYS 556 N 0.43 0.73 0.13 1.69 1.57 -0.96 -2.76 116.57 117.40 3k9k h LYS 556 Ca 0.09 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3k9k h LYS 556 Cb 0.49 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3k9k h LYS 556 CO 0.02 0.72 -0.06 1.25 -0.57 0.00 0.00 179.45 180.81 3k9k h LEU 557 N 0.69 -0.15 -0.63 2.94 6.46 -1.16 -2.48 115.31 120.98 3k9k h LEU 557 Ca 0.14 -0.18 0.13 0.00 -0.12 0.00 0.00 57.88 57.85 3k9k h LEU 557 Cb 0.38 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 40.24 3k9k h LEU 557 CO 0.01 0.10 -0.04 -0.61 -0.62 0.00 0.00 178.44 177.29 3k9k h GLN 558 N -0.40 0.08 -0.21 1.25 4.15 -1.00 0.15 115.11 119.12 3k9k h GLN 558 Ca -0.02 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 3k9k h GLN 558 Cb 0.32 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3k9k h GLN 558 CO 0.03 0.05 0.10 0.00 -1.93 0.00 0.00 178.83 177.08 3k9k h ARG 559 N 0.08 0.31 -0.66 1.69 3.08 -1.43 -1.50 114.38 115.95 3k9k h ARG 559 Ca 0.33 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.46 3k9k h ARG 559 Cb 0.53 -0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.40 3k9k h ARG 559 CO -0.57 0.34 -0.10 -0.07 -1.07 0.00 0.00 179.97 178.50 3k9k h LEU 560 N 0.21 -0.49 0.00 3.04 3.38 -0.95 -3.52 115.31 116.97 3k9k h LEU 560 Ca 0.07 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3k9k h LEU 560 Cb 0.14 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3k9k h LEU 560 CO -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.33 3k9k n GLN 561 N -5.39 1.63 -3.11 1.13 1.13 0.47 -5.11 117.38 108.12 3k9k n GLN 561 Ca 0.09 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.91 3k9k n GLN 561 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.72 3k9k n GLN 561 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3k9k s ARG 569 N 0.00 3.30 0.60 -1.09 1.81 -1.26 -5.07 118.95 117.24 3k9k s ARG 569 Ca 0.00 -0.34 -0.08 0.00 -1.72 0.00 0.00 55.73 53.60 3k9k s ARG 569 Cb 0.00 -2.58 -0.00 0.00 -0.45 0.00 0.00 34.95 31.92 3k9k s ARG 569 CO 0.00 -0.09 0.94 -1.25 -0.68 0.00 0.00 175.30 174.22 3k9k s PRO 570 N -4.48 3.10 -0.06 3.54 0.04 -1.26 -4.94 135.00 130.94 3k9k s PRO 570 Ca 0.45 0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.74 3k9k s PRO 570 Cb -0.10 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.24 3k9k s PRO 570 CO 0.38 -0.67 -0.13 0.42 0.04 0.00 0.00 177.00 177.04 3k9k s ILE 571 N -3.05 1.15 -0.19 0.56 1.01 -0.01 -3.64 121.20 117.02 3k9k s ILE 571 Ca 0.54 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 3k9k s ILE 571 Cb -0.11 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 3k9k s ILE 571 CO 0.48 0.35 0.15 -0.22 0.00 0.00 0.00 174.94 175.70 3k9k s LEU 572 N 0.56 4.22 -0.23 2.97 2.96 -0.03 0.16 118.68 129.28 3k9k s LEU 572 Ca -0.13 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3k9k s LEU 572 Cb -0.15 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.45 3k9k s LEU 572 CO 0.03 0.18 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.93 3k9k s LEU 573 N 0.33 2.99 0.30 -0.68 2.96 0.38 -0.86 118.68 124.10 3k9k s LEU 573 Ca 0.09 -0.88 -0.19 0.00 -0.22 0.00 0.00 54.13 52.93 3k9k s LEU 573 Cb -0.11 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 44.99 3k9k s LEU 573 CO -0.01 -0.10 0.72 -1.38 -1.32 0.00 0.00 176.35 174.25 3k9k s HIS 574 N 1.29 -0.10 -0.50 5.38 -3.43 -1.26 -3.05 115.29 113.62 3k9k s HIS 574 Ca 0.00 -0.40 -0.29 0.00 -0.80 0.00 0.00 55.06 53.58 3k9k s HIS 574 Cb -0.16 0.71 0.03 0.00 -1.43 0.00 0.00 32.58 31.72 3k9k s HIS 574 CO -0.06 -1.29 1.17 0.34 -2.00 0.00 0.00 174.74 172.89 3k9k s ASP 575 N -2.96 6.57 0.00 7.38 3.68 -1.26 -4.88 116.67 125.20 3k9k s ASP 575 Ca 0.12 0.38 0.28 0.00 2.13 0.00 0.00 52.55 55.47 3k9k s ASP 575 Cb -0.06 -2.55 1.17 0.00 -1.45 0.00 0.00 42.92 40.04 3k9k s ASP 575 CO 0.08 -1.33 1.84 -0.46 0.13 0.00 0.00 175.17 175.43 3k9k n ASN 576 N 8.06 0.36 -2.22 -0.34 6.94 -1.26 -4.02 115.26 122.78 3k9k n ASN 576 Ca 0.11 -0.34 -0.30 0.00 -0.02 0.00 0.00 54.58 54.03 3k9k n ASN 576 Cb 0.49 -0.12 0.07 0.00 -2.36 0.00 0.00 39.78 37.86 3k9k n ASN 576 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k9k n ALA 577 N -1.13 6.01 -2.45 -2.53 0.00 -1.26 -4.84 120.51 114.31 3k9k n ALA 577 Ca 0.12 -2.98 -0.23 0.00 0.00 0.00 0.00 53.44 50.35 3k9k n ALA 577 Cb 0.29 -1.67 -0.10 0.00 0.00 0.00 0.00 19.45 17.97 3k9k n ALA 577 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3k9k s ARG 578 N -3.26 1.61 0.07 0.00 0.52 -1.26 -5.08 118.95 111.55 3k9k s ARG 578 Ca 0.55 -1.76 -0.28 0.00 -0.52 0.00 0.00 55.73 53.72 3k9k s ARG 578 Cb 0.43 -1.58 -0.17 0.00 0.52 0.00 0.00 34.95 34.15 3k9k s ARG 578 CO -0.02 0.25 1.63 -1.00 0.02 0.00 0.00 175.30 176.18 3k9k h PRO 579 N 2.30 -0.49 0.00 3.54 0.13 -1.95 -2.54 132.00 132.99 3k9k h PRO 579 Ca -0.40 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3k9k h PRO 579 Cb 1.25 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3k9k h PRO 579 CO 0.62 -0.30 0.00 -2.39 -0.23 0.00 0.00 178.00 175.70 3k9k n HIS 580 N -5.29 0.00 -2.86 1.56 1.44 -1.26 -3.41 115.22 105.40 3k9k n HIS 580 Ca -0.11 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.17 3k9k n HIS 580 Cb 0.23 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 30.04 3k9k n HIS 580 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3k9k n VAL 581 N -1.30 4.30 -4.14 0.61 0.31 -0.96 -4.03 118.33 113.13 3k9k n VAL 581 Ca 0.03 -4.72 -0.08 0.00 -0.01 0.00 0.00 64.34 59.56 3k9k n VAL 581 Cb 0.06 -2.45 -0.03 0.00 -0.91 0.00 0.00 33.84 30.52 3k9k n VAL 581 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k9k n ALA 582 N 5.11 0.27 -0.33 3.52 0.00 -1.22 -4.79 120.51 123.06 3k9k n ALA 582 Ca 0.37 -0.79 0.11 0.00 0.00 0.00 0.00 53.44 53.13 3k9k n ALA 582 Cb 0.41 0.60 0.24 0.00 0.00 0.00 0.00 19.45 20.70 3k9k n ALA 582 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3k9k h GLN 583 N 0.00 0.02 -0.26 0.00 5.75 -1.92 0.11 115.11 118.80 3k9k h GLN 583 Ca -0.10 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 3k9k h GLN 583 Cb 0.48 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 3k9k h GLN 583 CO 0.16 0.01 0.16 -1.35 -2.65 0.00 0.00 178.83 175.15 3k9k h PRO 584 N 0.02 0.36 0.51 -2.39 0.11 -1.93 0.43 132.00 129.11 3k9k h PRO 584 Ca 0.55 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.61 3k9k h PRO 584 Cb 1.05 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3k9k h PRO 584 CO -0.91 0.29 -0.50 1.15 -0.21 0.00 0.00 178.00 177.82 3k9k h THR 585 N 0.33 0.02 -0.97 -1.15 2.02 -0.95 0.12 112.91 112.32 3k9k h THR 585 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.41 3k9k h THR 585 Cb 0.03 0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 66.37 3k9k h THR 585 CO -0.02 0.00 0.59 -0.07 0.37 0.00 0.00 175.52 176.39 3k9k h LEU 586 N -1.01 0.82 -0.16 2.58 3.38 -1.21 0.22 115.31 119.93 3k9k h LEU 586 Ca -0.06 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3k9k h LEU 586 Cb 0.88 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3k9k h LEU 586 CO -0.06 0.40 -0.06 -0.61 0.09 0.00 0.00 178.44 178.20 3k9k h GLN 587 N 0.88 -0.03 0.28 1.13 5.75 0.39 -1.18 115.11 122.33 3k9k h GLN 587 Ca 0.50 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.01 3k9k h GLN 587 Cb 0.59 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 3k9k h GLN 587 CO -0.30 -0.02 -0.31 -0.22 -2.65 0.00 0.00 178.83 175.33 3k9k h LYS 588 N -0.03 -0.60 -0.28 1.69 1.63 0.12 0.15 116.57 119.25 3k9k h LYS 588 Ca 0.08 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.97 3k9k h LYS 588 Cb 0.15 0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.87 3k9k h LYS 588 CO -0.18 -0.40 -0.01 -0.07 -3.45 0.00 0.00 179.45 175.33 3k9k h LEU 589 N -0.62 -0.14 -0.20 5.20 3.38 -1.11 0.31 115.31 122.13 3k9k h LEU 589 Ca -0.01 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3k9k h LEU 589 Cb 0.58 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3k9k h LEU 589 CO -0.08 -0.04 -0.05 -1.13 0.09 0.00 0.00 178.44 177.23 3k9k h ASN 590 N 0.07 -0.20 -0.78 -0.43 -1.24 -1.04 0.39 115.58 112.35 3k9k h ASN 590 Ca 0.13 0.06 0.07 0.00 0.71 0.00 0.00 56.30 57.27 3k9k h ASN 590 Cb 0.18 0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.31 3k9k h ASN 590 CO -0.24 -0.07 0.51 -0.08 -1.29 0.00 0.00 177.43 176.26 3k9k h GLU 591 N -0.00 0.81 -0.01 6.67 4.81 -0.29 -2.52 114.58 124.05 3k9k h GLU 591 Ca 0.10 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3k9k h GLU 591 Cb 0.15 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3k9k h GLU 591 CO -0.21 0.54 -0.20 1.28 -0.73 0.00 0.00 179.01 179.69 3k9k n LEU 592 N -4.48 0.97 0.00 1.64 4.77 0.10 -4.95 117.00 115.05 3k9k n LEU 592 Ca 0.12 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3k9k n LEU 592 Cb 0.22 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3k9k n LEU 592 CO 0.33 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3k9k n GLY 593 N 1.31 0.72 3.63 -0.72 0.00 -0.36 -5.05 105.19 104.72 3k9k n GLY 593 Ca 0.13 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 3k9k n GLY 593 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k9k s TYR 594 N -2.00 3.29 0.07 1.61 1.51 -0.02 -4.65 117.35 117.16 3k9k s TYR 594 Ca 0.00 0.47 -0.29 0.00 -1.01 0.00 0.00 57.07 56.24 3k9k s TYR 594 Cb 0.00 -2.55 -0.05 0.00 -0.11 0.00 0.00 41.96 39.25 3k9k s TYR 594 CO 0.00 -0.15 0.92 -2.00 -1.11 0.00 0.00 175.55 173.21 3k9k s GLU 595 N 1.81 4.62 -0.17 -0.62 2.12 -1.24 -4.46 118.70 120.77 3k9k s GLU 595 Ca 0.16 1.36 -0.12 0.00 0.36 0.00 0.00 54.97 56.72 3k9k s GLU 595 Cb -0.15 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 3k9k s GLU 595 CO 0.09 0.16 0.24 0.08 -0.54 0.00 0.00 175.26 175.29 3k9k s VAL 596 N 0.24 5.34 0.16 3.70 1.01 -1.26 -0.85 120.40 128.75 3k9k s VAL 596 Ca 0.46 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 3k9k s VAL 596 Cb -0.22 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 3k9k s VAL 596 CO 0.28 0.41 1.07 -0.22 0.00 0.00 0.00 175.10 176.64 3k9k s LEU 597 N 0.38 4.49 0.29 3.92 2.96 -0.04 -4.93 118.68 125.75 3k9k s LEU 597 Ca 0.14 2.03 -0.29 0.00 -0.22 0.00 0.00 54.13 55.78 3k9k s LEU 597 Cb -0.12 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 42.84 3k9k s LEU 597 CO 0.02 -0.18 1.28 -2.65 -1.32 0.00 0.00 176.35 173.49 3k9k n PRO 598 N 2.45 1.92 -3.67 0.98 -0.02 -1.26 -4.79 135.00 130.62 3k9k n PRO 598 Ca 0.03 0.68 -0.16 0.00 -2.02 0.00 0.00 63.50 62.03 3k9k n PRO 598 Cb 0.47 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 3k9k n PRO 598 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3k9k s HIS 599 N -0.70 -0.25 0.27 6.00 2.46 -1.26 -5.05 115.29 116.77 3k9k s HIS 599 Ca 0.61 0.71 -0.29 0.00 0.47 0.00 0.00 55.06 56.56 3k9k s HIS 599 Cb -0.63 -0.19 -0.10 0.00 -0.13 0.00 0.00 32.58 31.53 3k9k s HIS 599 CO 0.57 -0.29 1.26 -1.25 -2.47 0.00 0.00 174.74 172.56 3k9k s PRO 600 N 2.29 4.43 0.55 2.88 0.04 -1.26 -4.95 135.00 138.97 3k9k s PRO 600 Ca 0.02 2.07 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 3k9k s PRO 600 Cb -0.12 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.19 3k9k s PRO 600 CO -0.07 -0.12 0.64 -2.30 0.04 0.00 0.00 177.00 175.19 3k9k n PRO 601 N 1.53 0.65 -3.68 0.56 -0.02 -1.26 -3.42 135.00 129.36 3k9k n PRO 601 Ca 0.02 0.25 -0.23 0.00 -2.02 0.00 0.00 63.50 61.52 3k9k n PRO 601 Cb 0.43 -1.78 0.05 0.00 -0.02 0.00 0.00 33.50 32.18 3k9k n PRO 601 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k9k n TYR 602 N -1.52 -2.25 -2.97 6.00 4.02 -1.26 -4.94 117.16 114.23 3k9k n TYR 602 Ca 0.12 0.91 -0.22 0.00 -0.01 0.00 0.00 57.90 58.70 3k9k n TYR 602 Cb 0.46 -4.56 -0.03 0.00 -0.02 0.00 0.00 39.34 35.19 3k9k n TYR 602 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3k9k n SER 603 N -3.01 2.88 0.09 7.72 7.64 -1.22 -4.87 113.62 122.85 3k9k n SER 603 Ca -0.16 -3.36 0.17 0.00 1.01 0.00 0.00 58.87 56.53 3k9k n SER 603 Cb 0.62 -0.57 0.70 0.00 -1.01 0.00 0.00 64.21 63.94 3k9k n SER 603 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3k9k h PRO 604 N 2.95 0.00 0.00 1.43 0.11 -1.92 -0.65 132.00 133.93 3k9k h PRO 604 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3k9k h PRO 604 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3k9k h PRO 604 CO 0.68 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3k9k n ASP 605 N -4.33 0.00 0.00 -2.05 5.75 -1.26 -2.14 116.55 112.52 3k9k n ASP 605 Ca 0.06 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 3k9k n ASP 605 Cb 0.45 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3k9k n ASP 605 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3k9k n LEU 606 N -1.26 0.96 -4.37 -2.12 4.32 -0.25 -4.92 117.00 109.36 3k9k n LEU 606 Ca 0.04 -0.96 -0.39 0.00 -0.02 0.00 0.00 56.01 54.69 3k9k n LEU 606 Cb 0.07 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.75 3k9k n LEU 606 CO 0.07 0.24 -0.22 -0.76 -1.22 0.00 0.00 177.39 175.50 3k9k s LEU 607 N -0.18 4.23 0.52 2.23 1.43 -0.91 -5.01 118.68 120.99 3k9k s LEU 607 Ca 0.00 -0.81 0.20 0.00 -1.03 0.00 0.00 54.13 52.49 3k9k s LEU 607 Cb 0.00 -1.95 1.31 0.00 0.03 0.00 0.00 46.19 45.58 3k9k s LEU 607 CO 0.00 -0.27 2.07 -0.65 0.23 0.00 0.00 176.35 177.74 3k9k h PRO 608 N 8.32 0.02 -0.56 1.29 0.11 -1.87 -0.81 132.00 138.50 3k9k h PRO 608 Ca -0.29 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 3k9k h PRO 608 Cb 1.12 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3k9k h PRO 608 CO 0.62 0.02 0.22 1.15 -0.21 0.00 0.00 178.00 179.80 3k9k h THR 609 N 0.02 1.20 0.21 -1.15 2.02 -1.93 -0.99 112.91 112.30 3k9k h THR 609 Ca 0.13 -0.65 -0.35 0.00 0.77 0.00 0.00 66.41 66.31 3k9k h THR 609 Cb 0.47 0.54 0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3k9k h THR 609 CO -0.00 0.25 -1.66 0.78 0.37 0.00 0.00 175.52 175.26 3k9k h ASN 610 N 0.80 0.70 0.65 4.18 4.21 -1.44 0.61 115.58 125.28 3k9k h ASN 610 Ca 0.19 -0.93 0.00 0.00 1.21 0.00 0.00 56.30 56.77 3k9k h ASN 610 Cb 0.17 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.14 3k9k h ASN 610 CO -0.02 1.77 -0.60 0.00 -1.29 0.00 0.00 177.43 177.29 3k9k n TYR 611 N -3.64 0.25 0.00 1.19 4.11 -0.86 -3.81 117.16 114.40 3k9k n TYR 611 Ca -0.22 0.07 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 3k9k n TYR 611 Cb 1.08 -0.44 0.00 0.00 -0.00 0.00 0.00 39.34 39.99 3k9k n TYR 611 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 3k9k n HIS 612 N -1.79 0.00 0.21 -3.48 -0.00 -0.40 -4.71 115.22 105.05 3k9k n HIS 612 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.67 3k9k n HIS 612 Cb 0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.33 3k9k n HIS 612 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3k9k h VAL 613 N 0.00 0.00 -0.10 3.57 2.07 -1.33 -1.94 116.25 118.52 3k9k h VAL 613 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3k9k h VAL 613 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3k9k h VAL 613 CO 0.00 0.00 0.14 -0.26 0.02 0.00 0.00 177.57 177.47 3k9k h PHE 614 N -0.58 0.00 -0.19 1.57 0.04 0.01 0.21 116.94 117.99 3k9k h PHE 614 Ca -0.05 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.51 3k9k h PHE 614 Cb 0.46 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.62 3k9k h PHE 614 CO 0.04 0.00 -0.67 -0.22 -0.60 0.00 0.00 178.31 176.87 3k9k h LYS 615 N 0.00 0.79 -0.03 1.51 3.64 -1.60 -2.44 116.57 118.45 3k9k h LYS 615 Ca 0.05 -0.59 -0.24 0.00 -1.27 0.00 0.00 60.65 58.59 3k9k h LYS 615 Cb 0.33 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3k9k h LYS 615 CO -0.00 1.21 -0.95 0.45 -2.27 0.00 0.00 179.45 177.89 3k9k h HIS 616 N 0.53 0.86 -0.52 1.91 3.86 -0.29 -2.92 115.15 118.57 3k9k h HIS 616 Ca -0.03 -0.45 0.09 0.00 -1.16 0.00 0.00 60.37 58.83 3k9k h HIS 616 Cb 1.29 -0.10 -0.10 0.00 1.06 0.00 0.00 27.41 29.55 3k9k h HIS 616 CO 0.09 1.27 -0.34 1.25 0.86 0.00 0.00 177.93 181.05 3k9k h LEU 617 N 0.35 -1.17 -0.48 2.43 5.85 -1.07 -1.41 115.31 119.81 3k9k h LEU 617 Ca -0.09 0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3k9k h LEU 617 Cb 1.58 0.56 -0.10 0.00 0.37 0.00 0.00 40.66 43.08 3k9k h LEU 617 CO 0.18 -0.31 -0.25 0.78 -0.34 0.00 0.00 178.44 178.49 3k9k h ASN 618 N -0.20 -0.86 -0.65 1.25 2.35 -1.33 0.44 115.58 116.57 3k9k h ASN 618 Ca 0.20 0.18 0.10 0.00 -0.55 0.00 0.00 56.30 56.24 3k9k h ASN 618 Cb 0.55 0.45 -0.04 0.00 0.05 0.00 0.00 38.32 39.33 3k9k h ASN 618 CO -0.63 -0.27 0.44 0.78 -1.65 0.00 0.00 177.43 176.10 3k9k h ASN 619 N -0.15 0.44 0.60 5.81 2.35 -1.20 -0.23 115.58 123.20 3k9k h ASN 619 Ca 0.22 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.80 3k9k h ASN 619 Cb 0.49 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3k9k h ASN 619 CO -0.57 0.26 -0.81 0.15 -1.65 0.00 0.00 177.43 174.81 3k9k h PHE 620 N 0.48 0.21 0.00 1.19 3.57 0.22 -3.28 116.94 119.34 3k9k h PHE 620 Ca 0.30 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3k9k h PHE 620 Cb 0.54 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3k9k h PHE 620 CO -0.00 0.89 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.73 3k9k h LEU 621 N 0.09 0.00 -9.51 0.59 3.38 0.15 -3.47 115.31 106.53 3k9k h LEU 621 Ca -0.03 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.37 3k9k h LEU 621 Cb 1.41 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.22 3k9k h LEU 621 CO 0.12 0.11 0.90 1.67 0.09 0.00 0.00 178.44 181.33 3k9k n GLN 622 N -3.10 2.33 -2.17 1.13 7.27 -0.57 -2.45 117.38 119.82 3k9k n GLN 622 Ca 0.03 0.84 -0.02 0.00 0.07 0.00 0.00 57.00 57.92 3k9k n GLN 622 Cb 0.58 -2.65 0.00 0.00 2.41 0.00 0.00 30.24 30.58 3k9k n GLN 622 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3k9k n GLY 623 N 3.70 0.41 3.21 1.69 0.00 -0.19 -5.05 105.19 108.96 3k9k n GLY 623 Ca 0.17 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 3k9k n GLY 623 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k9k s LYS 624 N -4.33 2.49 -0.17 1.61 1.02 -1.03 -4.90 119.74 114.43 3k9k s LYS 624 Ca 0.01 -0.80 -0.01 0.00 0.02 0.00 0.00 55.97 55.20 3k9k s LYS 624 Cb -0.01 -2.02 -0.00 0.00 -0.52 0.00 0.00 37.83 35.28 3k9k s LYS 624 CO 0.02 0.26 -0.13 0.50 -0.92 0.00 0.00 175.35 175.08 3k9k s ARG 625 N 0.10 3.27 0.17 1.68 3.52 -1.26 0.14 118.95 126.58 3k9k s ARG 625 Ca -0.09 -0.71 0.07 0.00 -0.13 0.00 0.00 55.73 54.87 3k9k s ARG 625 Cb -0.15 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 3k9k s ARG 625 CO 0.05 -0.01 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.45 3k9k s PHE 626 N 0.90 2.81 -0.12 5.12 0.40 0.52 -4.99 117.98 122.62 3k9k s PHE 626 Ca -0.03 -0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.11 3k9k s PHE 626 Cb -0.15 -1.37 -0.06 0.00 0.51 0.00 0.00 43.02 41.95 3k9k s PHE 626 CO -0.01 0.51 -0.14 0.72 0.70 0.00 0.00 175.22 177.00 3k9k n HIS 627 N -0.05 0.00 -4.04 0.36 8.25 -1.26 -4.56 115.22 113.91 3k9k n HIS 627 Ca -0.10 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.13 3k9k n HIS 627 Cb 0.55 -0.45 -0.06 0.00 1.12 0.00 0.00 29.99 31.15 3k9k n HIS 627 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k9k s ASN 628 N -5.82 4.83 0.11 0.41 2.20 -1.26 -5.04 114.94 110.37 3k9k s ASN 628 Ca -0.17 -0.70 -0.22 0.00 -0.94 0.00 0.00 52.86 50.83 3k9k s ASN 628 Cb 0.06 -0.80 -0.08 0.00 -2.00 0.00 0.00 41.25 38.42 3k9k s ASN 628 CO 0.24 -0.29 1.71 -0.61 -2.94 0.00 0.00 177.10 175.20 3k9k h GLN 629 N 1.49 -0.09 -0.69 3.55 4.15 -2.01 -2.39 115.11 119.12 3k9k h GLN 629 Ca -0.44 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.19 3k9k h GLN 629 Cb 1.25 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.93 3k9k h GLN 629 CO 0.62 -0.06 0.61 0.37 -1.93 0.00 0.00 178.83 178.44 3k9k h GLN 630 N -0.09 0.00 0.14 1.69 5.75 -1.99 -0.66 115.11 119.95 3k9k h GLN 630 Ca 0.05 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3k9k h GLN 630 Cb 0.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3k9k h GLN 630 CO -0.11 0.00 -0.07 -0.44 -2.65 0.00 0.00 178.83 175.56 3k9k h ASP 631 N 0.00 -0.16 -0.04 -0.69 3.45 -1.84 -1.82 116.42 115.32 3k9k h ASP 631 Ca 0.33 -0.35 0.02 0.00 0.43 0.00 0.00 57.03 57.46 3k9k h ASP 631 Cb 1.55 0.04 -0.06 0.00 -0.56 0.00 0.00 39.33 40.31 3k9k h ASP 631 CO -0.00 0.31 -0.53 0.00 -1.57 0.00 0.00 179.24 177.45 3k9k h ALA 632 N 0.05 -0.93 -1.01 3.45 0.00 -1.11 -1.22 119.26 118.49 3k9k h ALA 632 Ca -0.02 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 55.07 3k9k h ALA 632 Cb 0.50 0.96 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 3k9k h ALA 632 CO 0.03 -1.09 0.66 0.93 0.00 0.00 0.00 179.25 179.78 3k9k h GLU 633 N -0.63 0.34 -0.01 0.00 5.08 -1.41 0.89 114.58 118.83 3k9k h GLU 633 Ca 0.02 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3k9k h GLU 633 Cb 0.69 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3k9k h GLU 633 CO -0.37 0.23 -0.56 -0.91 -1.00 0.00 0.00 179.01 176.40 3k9k h ASN 634 N 0.35 0.05 -0.09 1.42 2.35 -0.55 0.12 115.58 119.23 3k9k h ASN 634 Ca 0.55 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 56.18 3k9k h ASN 634 Cb 1.48 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.84 3k9k h ASN 634 CO -0.23 0.60 -0.32 0.00 -1.65 0.00 0.00 177.43 175.83 3k9k h ALA 635 N 1.40 0.16 0.78 -0.83 0.00 0.18 0.14 119.26 121.09 3k9k h ALA 635 Ca -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3k9k h ALA 635 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3k9k h ALA 635 CO 0.07 0.21 -0.41 0.35 0.00 0.00 0.00 179.25 179.47 3k9k h PHE 636 N -0.08 -1.08 -0.35 0.00 3.57 -0.87 -1.36 116.94 116.77 3k9k h PHE 636 Ca -0.01 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.48 3k9k h PHE 636 Cb 0.95 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 3k9k h PHE 636 CO 0.12 -0.64 0.23 0.37 -2.23 0.00 0.00 178.31 176.16 3k9k h GLN 637 N -1.09 0.43 -0.72 1.11 4.15 -1.05 0.72 115.11 118.66 3k9k h GLN 637 Ca -0.11 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 3k9k h GLN 637 Cb 0.85 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.41 3k9k h GLN 637 CO 0.15 0.29 0.41 1.49 -1.93 0.00 0.00 178.83 179.24 3k9k h GLU 638 N 0.44 0.99 0.04 1.69 4.81 -0.64 -1.73 114.58 120.18 3k9k h GLU 638 Ca 0.13 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3k9k h GLU 638 Cb -0.01 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.17 3k9k h GLU 638 CO -0.03 0.73 -0.02 0.35 -0.73 0.00 0.00 179.01 179.31 3k9k h PHE 639 N 0.99 -0.04 -0.34 0.92 3.57 0.15 -1.49 116.94 120.69 3k9k h PHE 639 Ca 0.26 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 3k9k h PHE 639 Cb 0.01 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3k9k h PHE 639 CO -0.01 0.31 0.02 -0.39 -2.23 0.00 0.00 178.31 176.01 3k9k h VAL 640 N -0.40 1.25 0.00 1.41 -1.51 -0.87 -2.89 116.25 113.24 3k9k h VAL 640 Ca -0.00 -0.92 -0.05 0.00 -1.23 0.00 0.00 66.70 64.49 3k9k h VAL 640 Cb 0.37 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 3k9k h VAL 640 CO 0.01 0.30 -0.24 -0.33 -1.23 0.00 0.00 177.57 176.08 3k9k h GLU 641 N 0.40 0.00 -0.07 5.19 5.08 -1.37 -1.74 114.58 122.07 3k9k h GLU 641 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3k9k h GLU 641 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3k9k h GLU 641 CO 0.01 0.24 0.00 -1.13 -1.00 0.00 0.00 179.01 177.14 3k9k n SER 642 N -3.70 0.43 -4.80 1.42 3.41 -0.56 -4.86 113.62 104.96 3k9k n SER 642 Ca -0.01 -1.89 -0.37 0.00 -0.26 0.00 0.00 58.87 56.34 3k9k n SER 642 Cb 0.36 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 3k9k n SER 642 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3k9k s GLN 643 N -1.90 3.90 0.69 4.33 -1.52 -0.66 -5.05 119.66 119.45 3k9k s GLN 643 Ca 0.10 0.01 -0.13 0.00 -1.95 0.00 0.00 55.36 53.39 3k9k s GLN 643 Cb 0.05 -3.31 0.02 0.00 -0.22 0.00 0.00 33.01 29.55 3k9k s GLN 643 CO 0.08 0.51 1.10 -1.54 -0.25 0.00 0.00 175.29 175.19 3k9k s SER 644 N -0.34 4.96 0.43 5.90 1.04 -1.26 -4.92 113.70 119.52 3k9k s SER 644 Ca 0.16 1.92 0.11 0.00 0.48 0.00 0.00 55.95 58.62 3k9k s SER 644 Cb -0.13 -2.54 0.94 0.00 0.10 0.00 0.00 66.02 64.40 3k9k s SER 644 CO 0.04 -1.73 2.01 0.71 0.98 0.00 0.00 173.24 175.26 3k9k h THR 645 N -0.35 1.11 -0.25 2.02 1.35 -1.94 0.56 112.91 115.42 3k9k h THR 645 Ca -0.46 -0.46 0.07 0.00 -0.55 0.00 0.00 66.41 65.02 3k9k h THR 645 Cb 1.24 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 3k9k h THR 645 CO 0.53 0.15 0.27 0.44 -0.25 0.00 0.00 175.52 176.66 3k9k h ASP 646 N 0.20 0.00 -0.27 5.36 3.45 -1.92 0.52 116.42 123.77 3k9k h ASP 646 Ca 0.05 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.38 3k9k h ASP 646 Cb 0.20 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3k9k h ASP 646 CO 0.01 0.00 -0.32 0.15 -1.57 0.00 0.00 179.24 177.51 3k9k h PHE 647 N 0.00 0.84 0.00 4.55 3.57 -1.23 -2.14 116.94 122.53 3k9k h PHE 647 Ca 0.12 -0.27 -0.06 0.00 3.53 0.00 0.00 57.97 61.30 3k9k h PHE 647 Cb 0.65 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3k9k h PHE 647 CO 0.00 1.02 -0.23 1.88 -2.23 0.00 0.00 178.31 178.75 3k9k h TYR 648 N 0.42 0.22 -0.90 0.41 -1.99 -1.28 -2.73 116.97 111.12 3k9k h TYR 648 Ca 0.04 -0.12 0.25 0.00 2.00 0.00 0.00 58.73 60.89 3k9k h TYR 648 Cb 0.90 -0.02 -0.15 0.00 2.00 0.00 0.00 36.73 39.46 3k9k h TYR 648 CO 0.08 0.94 0.26 2.35 -0.00 0.00 0.00 178.16 181.78 3k9k h TRP 649 N -0.56 0.38 -0.41 4.88 2.91 -0.26 -0.40 115.95 122.50 3k9k h TRP 649 Ca -0.03 0.05 -0.15 0.00 1.13 0.00 0.00 58.89 59.89 3k9k h TRP 649 Cb 1.00 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.62 3k9k h TRP 649 CO 0.19 -0.23 -0.32 1.15 -1.03 0.00 0.00 178.44 178.20 3k9k h THR 650 N 0.20 1.27 -0.67 2.65 2.02 -1.37 -1.29 112.91 115.72 3k9k h THR 650 Ca 0.58 -1.49 0.06 0.00 0.77 0.00 0.00 66.41 66.33 3k9k h THR 650 Cb 1.19 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 68.86 3k9k h THR 650 CO -0.67 0.50 0.36 1.23 0.37 0.00 0.00 175.52 177.31 3k9k h GLY 651 N 0.76 0.98 0.24 2.16 0.00 -0.76 -2.38 103.07 104.07 3k9k h GLY 651 Ca 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3k9k h GLY 651 CO 0.08 0.14 -0.06 -2.22 0.00 0.00 0.00 176.54 174.48 3k9k h ILE 652 N 0.66 1.63 0.00 2.60 1.08 -1.36 -3.30 117.51 118.83 3k9k h ILE 652 Ca 0.30 -1.94 0.00 0.00 -0.39 0.00 0.00 64.86 62.83 3k9k h ILE 652 Cb 0.21 2.93 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 3k9k h ILE 652 CO -0.19 0.51 0.00 0.59 -0.69 0.00 0.00 178.15 178.37 3k9k n ASN 653 N -4.65 0.00 0.00 1.72 3.02 -0.50 -1.17 115.26 113.68 3k9k n ASN 653 Ca -0.10 0.16 0.14 0.00 -0.03 0.00 0.00 54.58 54.76 3k9k n ASN 653 Cb 0.43 -0.34 0.64 0.00 -0.61 0.00 0.00 39.78 39.89 3k9k n ASN 653 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3k9k n GLN 654 N -1.34 0.13 -0.07 3.52 7.27 -0.90 -4.04 117.38 121.95 3k9k n GLN 654 Ca 0.07 0.02 -0.08 0.00 0.07 0.00 0.00 57.00 57.07 3k9k n GLN 654 Cb 0.15 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.29 3k9k n GLN 654 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3k9k h LEU 655 N 0.00 0.14 -0.99 1.69 3.38 -1.32 -2.65 115.31 115.55 3k9k h LEU 655 Ca 0.00 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.13 3k9k h LEU 655 Cb 0.42 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 3k9k h LEU 655 CO 0.00 0.11 0.61 0.40 0.09 0.00 0.00 178.44 179.65 3k9k h ILE 656 N 0.23 0.86 -0.22 1.22 2.04 -1.81 0.43 117.51 120.27 3k9k h ILE 656 Ca 0.11 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 3k9k h ILE 656 Cb 0.06 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 3k9k h ILE 656 CO -0.10 0.17 -0.19 0.28 0.00 0.00 0.00 178.15 178.31 3k9k h SER 657 N 0.92 0.37 -0.07 1.72 0.02 -1.75 -1.57 113.55 113.19 3k9k h SER 657 Ca 0.51 -0.10 -0.19 0.00 -0.84 0.00 0.00 61.79 61.17 3k9k h SER 657 Cb 0.58 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.03 3k9k h SER 657 CO -0.30 0.58 -0.69 0.03 -1.14 0.00 0.00 176.83 175.32 3k9k h ARG 658 N 0.35 0.59 -0.35 3.45 3.08 -0.05 -0.22 114.38 121.23 3k9k h ARG 658 Ca 0.06 -0.54 0.02 0.00 0.07 0.00 0.00 59.98 59.59 3k9k h ARG 658 Cb 0.54 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 3k9k h ARG 658 CO 0.04 1.16 0.20 -1.49 -1.07 0.00 0.00 179.97 178.81 3k9k h TRP 659 N 0.21 0.37 -0.56 3.04 6.55 -0.74 -1.65 115.95 123.17 3k9k h TRP 659 Ca -0.07 0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.79 3k9k h TRP 659 Cb 1.35 -0.12 -0.03 0.00 -0.86 0.00 0.00 29.16 29.50 3k9k h TRP 659 CO 0.11 0.22 0.37 0.37 -1.05 0.00 0.00 178.44 178.46 3k9k h GLN 660 N 0.41 0.74 -0.19 0.49 5.75 -1.16 -1.45 115.11 119.71 3k9k h GLN 660 Ca 0.14 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3k9k h GLN 660 Cb 0.01 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 3k9k h GLN 660 CO -0.07 0.49 -0.04 -0.22 -2.65 0.00 0.00 178.83 176.34 3k9k h LYS 661 N 0.76 0.28 0.08 1.69 3.64 -0.79 -0.96 116.57 121.28 3k9k h LYS 661 Ca 0.21 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3k9k h LYS 661 Cb -0.09 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3k9k h LYS 661 CO -0.04 0.34 -0.04 0.00 -2.27 0.00 0.00 179.45 177.43 3k9k h VAL 663 N -0.57 0.37 -0.42 0.00 2.07 -0.85 0.12 116.25 116.97 3k9k h VAL 663 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3k9k h VAL 663 Cb 0.48 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3k9k h VAL 663 CO 0.02 0.00 0.29 0.44 0.02 0.00 0.00 177.57 178.34 3k9k h ASP 664 N -0.21 0.15 -0.22 0.57 3.32 -1.22 0.38 116.42 119.19 3k9k h ASP 664 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3k9k h ASP 664 Cb 0.46 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3k9k h ASP 664 CO -0.44 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.18 3k9k n ASN 666 N 0.20 -3.19 0.00 0.00 3.02 0.13 -1.73 115.26 113.70 3k9k n ASN 666 Ca 0.08 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 3k9k n ASN 666 Cb 0.30 -2.79 0.00 0.00 -0.61 0.00 0.00 39.78 36.68 3k9k n ASN 666 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k9k n GLY 667 N -0.65 0.78 3.92 7.41 0.00 0.31 -4.67 105.19 112.29 3k9k n GLY 667 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 3k9k n GLY 667 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k9k s SER 668 N -2.43 4.13 0.34 1.61 0.01 -0.70 -4.43 113.70 112.23 3k9k s SER 668 Ca 0.00 0.49 -0.28 0.00 1.31 0.00 0.00 55.95 57.47 3k9k s SER 668 Cb 0.00 -0.87 -0.10 0.00 0.21 0.00 0.00 66.02 65.26 3k9k s SER 668 CO 0.00 -2.10 1.28 -0.31 0.41 0.00 0.00 173.24 172.52 3k9k s TYR 669 N -3.58 3.06 -0.57 2.43 4.12 -1.26 -4.81 117.35 116.73 3k9k s TYR 669 Ca 0.66 1.45 0.06 0.00 0.02 0.00 0.00 57.07 59.26 3k9k s TYR 669 Cb -0.08 -3.62 0.00 0.00 -1.52 0.00 0.00 41.96 36.74 3k9k s TYR 669 CO 0.49 -1.73 0.51 1.97 0.02 0.00 0.00 175.55 176.81 3k9k n PHE 670 N 0.67 0.00 -1.69 2.71 -1.74 -1.26 -5.03 117.46 111.11 3k9k n PHE 670 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.90 3k9k n PHE 670 Cb 0.43 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.43 3k9k n PHE 670 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80